SCHEMBL1078686

SCHEMBL1078686

COC(=O)N1CCc2c([nH]c3cncnc23)C1c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.48
ABCB1 P08183 5/20 0.42
ABCG2 Q9UNQ0 5/20 0.42
TP53 P04637 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL998115 0.90 KIF11 (0.52) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL997309 0.87 KIF11 (0.51) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL1001204 0.86 KIF11 (0.51) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL998559 0.85 KIF11 (0.48) KIF11TP53MAPTMEN1KMT2A
SCHEMBL1000700 0.85 KIF11 (0.53) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL998501 0.83 KIF11 (0.49) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL997273 0.83 ALDH1A1 (0.37) KIF11NPSR1
SCHEMBL998824 0.83 KIF11 (0.55) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL998702 0.82 KIF11 (0.36) KIF11TP53LMNANPSR1
SCHEMBL8402723 0.79 KIF11 (0.61) KIF11ABCB1ABCG2TP53MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS KIF11 4760/4885ABCB1 307/4885ABCG2 309/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.